[CP2K-user] [CP2K:19899] Partial Charge in fixed system

[K.AK]

Dear CP2K community, 

I tried to obtain the partial charge of MOF structure in PBC conditions.

MOF system has a big atoms, so I would like to fix the atom position for 
all atoms in unit cell. I now used the COMPONENTS_TO_FIX XYZ in the 
CONSTRAINT section and I would like to use the Mulliken charge.

Could I get only the partial charge without optimization step by cp2k 
software and how do I set the input file?

Best regards, K.AK

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